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Investigation of the bulk and point defect properties in uranium–plutonium mixed oxides (U,Pu)O2 using DFT+U: Effect of a low americium content

Journal of applied physics, 2022-06, Vol.131 (22)

2022

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Effect of cationic chemical disorder on defect formation energies in uranium–plutonium mixed oxides

Journal of applied physics, 2022-11, Vol.132 (17), p.175103

2022

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Experimental evidence of Xe incorporation in Schottky defects in UO2

Applied physics letters, 2015-03, Vol.106 (11)

2015

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Multiscale Modelling of Nuclear Fuels under Irradiation

EPJ Web of conferences, 2013-01, Vol.51, p.2003-21

2013

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First-principles study of uranium carbide: Accommodation of point defects and of helium, xenon, and oxygen impurities

Physical review. B, Condensed matter and materials physics, 2010-01, Vol.81 (1), Article 014101

Freyss, Michel

2010

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Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation

Journal of nuclear materials, 2005-12, Vol.347 (1), p.44-51

2005

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A new heat capacity law for UO2, PuO2 and (U,Pu)O2 derived from molecular dynamics simulations and useable in fuel performance codes

Journal of nuclear materials, 2021-06, Vol.549, p.152877, Article 152877

2021

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Assessment of atomistic data for predicting the phase diagram and defect thermodynamics. The example of non-stoichiometric uranium dioxide

Journal of nuclear materials, 2022-10, Vol.569, p.153864, Article 153864

2022

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GGA+U study of uranium mononitride: A comparison of the U-ramping and occupation matrix schemes and incorporation energies of fission products

Journal of nuclear materials, 2016-09, Vol.478, p.119-124

2016

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Ab initio study of electron mobility in V 2 O 5 via polaron hopping

Solid-state electronics, 2022-12, Vol.198, p.108455, Article 108455

2022

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First-principles DFT plus U investigation of charged states of defects and fission gas atoms in CeO(2)d

Physical review. B, Condensed matter and materials physics, 2016-09, Vol.94 (11)

2016

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Electronic Structure Investigation of the Bulk Properties of Uranium–Plutonium Mixed Oxides (U, Pu)O2

Inorganic chemistry, 2018-09, Vol.57 (17), p.10974-10983

2018

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Atomic-scale modeling of 1/2 (110){001} edge dislocations in UO2: Core properties and mobility

Journal of nuclear materials, 2023-02, Vol.574

2023

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A new heat capacity law for UO2, PuO2 and (U,Pu)O-2 derived from molecular dynamics simulations and useable in fuel performance codes

Journal of nuclear materials, 2021-06, Vol.549

2021

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Unit mechanisms of fission gas release: Current understanding and future needs

Journal of nuclear materials, 2018-06, Vol.504, p.300-317

2018

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Atomic-scale modeling of 1 2 〈 110 〉 { 001 } edge dislocations in UO 2 : Core properties and mobility

Journal of nuclear materials, 2023-02, Vol.574, p.154157, Article 154157

2023

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Atomic-scale modeling of 12〈110〉{001} edge dislocations in UO2: Core properties and mobility

Journal of nuclear materials, 2023-02, Vol.574, Article 154157

2023

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Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

Journal of physics. Condensed matter, 2019-12, Vol.31 (48), p.485501

2019

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Electronic Structure Investigation of the Bulk Properties of Uranium-Plutonium Mixed Oxides (U, Pu)O 2

Inorganic chemistry, 2018-09, Vol.57 (17), p.10974-10983

2018

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Ab initio study of electron mobility in V2O5 via polaron hopping

Solid-state electronics, 2022-12, Vol.198, Article 108455

2022

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GGA plus U study of uranium mononitride: A comparison of the U-ramping and occupation matrix schemes and incorporation energies of fission products

Journal of nuclear materials, 2016-09, Vol.478, p.119

2016

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Structural, electronic and energetic properties of uranium-americium mixed oxides U1−yAmyO2 using DFT+U calculations

Journal of physics. Condensed matter, 2019-12, Vol.31 (48)

2019

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Electron polarons and donor point defects in americium dioxide AmO 2

Physical review. B, 2020-01, Vol.101 (2), Article 024108

2020

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First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

Physical review. B, Condensed matter and materials physics, 2011-01, Vol.83 (3), Article 035126

2011

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Lattice constant in nonstoichiometric uranium dioxide from first principles

Physical review materials, 2018-02, Vol.2 (2), Article 023801

2018

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Investigation of the bulk and point defect properties in uranium–plutonium mixed oxides (U,Pu)O2 using DFT+U: Effect of a low americium content

Effect of cationic chemical disorder on defect formation energies in uranium–plutonium mixed oxides

Experimental evidence of Xe incorporation in Schottky defects in UO2

Multiscale Modelling of Nuclear Fuels under Irradiation

First-principles study of uranium carbide: Accommodation of point defects and of helium, xenon, and oxygen impurities

Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation

A new heat capacity law for UO2, PuO2 and (U,Pu)O2 derived from molecular dynamics simulations and useable in fuel performance codes

Assessment of atomistic data for predicting the phase diagram and defect thermodynamics. The example of non-stoichiometric uranium dioxide

GGA+U study of uranium mononitride: A comparison of the U-ramping and occupation matrix schemes and incorporation energies of fission products

Ab initio study of electron mobility in V 2 O 5 via polaron hopping

First-principles DFT plus U investigation of charged states of defects and fission gas atoms in CeO(2)d

Electronic Structure Investigation of the Bulk Properties of Uranium–Plutonium Mixed Oxides (U, Pu)O2

Atomic-scale modeling of 1/2 (110){001} edge dislocations in UO2: Core properties and mobility

A new heat capacity law for UO2, PuO2 and (U,Pu)O-2 derived from molecular dynamics simulations and useable in fuel performance codes

Unit mechanisms of fission gas release: Current understanding and future needs

Atomic-scale modeling of 1 2 〈 110 〉 { 001 } edge dislocations in UO 2 : Core properties and mobility

Atomic-scale modeling of 12〈110〉{001} edge dislocations in UO2: Core properties and mobility

Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

Electronic Structure Investigation of the Bulk Properties of Uranium-Plutonium Mixed Oxides (U, Pu)O 2

Ab initio study of electron mobility in V2O5 via polaron hopping

GGA plus U study of uranium mononitride: A comparison of the U-ramping and occupation matrix schemes and incorporation energies of fission products

Structural, electronic and energetic properties of uranium-americium mixed oxides U1−yAmyO2 using DFT+U calculations

Electron polarons and donor point defects in americium dioxide AmO 2

First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

Lattice constant in nonstoichiometric uranium dioxide from first principles

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